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The Journal of Chemical Physics|December 3, 2008
Solvent effects on optical properties of molecules: a combined time-dependent density functional theory/effective fragment potential approachSoohaeng Yoo, Federico Zahariev, Sarom Sok, et al.The Journal of Physical Chemistry. A|March 27, 2009
The binding of Ag+ and Au+ to etheneNina J Barnett, Lyudmila V Slipchenko, Mark S GordonThe Journal of Physical Chemistry. B|November 25, 2014
Surface affinity of the hydronium ion: the effective fragment potential and umbrella samplingKurt R Brorsen, Spencer R Pruitt, Mark S GordonPhysical Chemistry Chemical Physics : PCCP|April 20, 2022
Molecular interactions in diffusion-controlled aldol condensation with mesoporous silica nanoparticlesYu Lim Kim, James W Evans, Mark S GordonThe Journal of Chemical Physics|March 3, 2005
Multireference second-order perturbation theory: how size consistent is "almost size consistent"Jamie M Rintelman, Ivana Adamovic, Sergey Varganov, et al.Physical Chemistry Chemical Physics : PCCP|October 6, 2021
Bonding analysis of water clusters using quasi-atomic orbitalsJorge L Galvez Vallejo, Juan Duchimaza Heredia, Mark S GordonThe Journal of Chemical Physics|July 17, 2009
A combined effective fragment potential-fragment molecular orbital method. I. The energy expression and initial applicationsTakeshi Nagata, Dmitri G Fedorov, Kazuo Kitaura, et al.The Journal of Physical Chemistry. A|November 28, 2018
A Quasi-Atomic Analysis of Three-Center Two-Electron Zr-H-Si InteractionsJuan J Duchimaza Heredia, Aaron D Sadow, Mark S GordonThe Journal of Physical Chemistry. A|June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium OxidesGeorge Schoendorff, Michael W Schmidt, Klaus Ruedenberg, et al.The Journal of Physical Chemistry. A|January 13, 2006
Modeling styrene-styrene interactionsIvana Adamovic, Hui Li, Monica H Lamm, et al.Pageof 25